SCHEMBL13613712

SCHEMBL13613712

Cc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.65
POLB P06746 1/20 0.49
STING1 Q86WV6 1/20 0.46
IDO1 P14902 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GBA1 P04062 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DDX3X O00571 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13613617 0.90 TRPV1 (0.73) TRPV1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13613714 0.90 TRPV1 (0.64) TRPV1NPC1RAB9AMAPT
SCHEMBL13613604 0.87 TRPV1 (0.63) TRPV1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13613697 0.87 TRPV1 (0.62) TRPV1POLBSTING1NPC1RAB9A
SCHEMBL13613711 0.86 TRPV1 (0.61) TRPV1NPC1RAB9A
SCHEMBL13613696 0.84 TRPV1 (0.59) TRPV1DDX3X
SCHEMBL4336888 0.84 TRPV1 (0.77) TRPV1POLBNPC1RAB9AMAPT
SCHEMBL4336624 0.84 TRPV1 (0.65) TRPV1NPC1RAB9AMAPT
SCHEMBL10086934 0.84 TRPV1 (0.57) TRPV1STING1NPC1MAPTDDX3X
SCHEMBL13613708 0.84 TRPV1 (0.62) TRPV1NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed